Molecule
ID:61754
General Information
Molecular Formula
C₈H₄FNO
Molecular Mass
149.1218632
Exact Mass
149.02769197
Charge
0
InChI
InChI=1S/C8H4FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H
InChIKey
MJDZWYNXMPFSJE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(C#N)cc(c1)F
Isomeric Smiles
N#Cc1cc(cc(c1)C=O)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6845462
LogD (pH = 7.4)
1.6845462
Log P
1.6845462
Molar Refractivity
38.58
Polarizability
13.762885
Polar Surface Area
40.86
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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